E627-0053 Screening compound: N-cyclohexyl-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

E627-0053 Screening compound: N-cyclohexyl-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide
E627-0053 Screening compound: N-cyclohexyl-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E627-0053
N-cyclohexyl-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E627-0053

Molecular Formula

C29H31N5O2 (C29 H31 N5 O2)

Compound Name

N-cyclohexyl-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

IUPAC name

N-cyclohexyl-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-10-(1H-pyrrol-1-yl)-1H2H3H4H-pyrazino[12-a]indole-3-carboxamide

SMILES

CC(Cn(c1c2cccc1)c1c2-n2cccc2)(C(NC2CCCCC2)=O)N(Cc2ncccc2)C1=O

InChI

InChI=1S/C29H31N5O2/c1-29(28(36)31-21-11-3-2-4-12-21)20-33-24-15-6-5-14-23(24)25(32-17-9-10-18-32)26(33)27(35)34(29)19-22-13-7-8-16-30-22/h5-10,13-18,21H,2-4,11-12,19-20H2,1H3,(H,31,36)/t29-/m0/s1

InChI Key

MEDXFDREWJOVPT-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD27600588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.814

Distribution Coefficient, logD

4.814

Water Solubility, LogSw

-4.73

Polar Surface Area

53.440

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

E627-0053 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Targets:
  • Proteases
  • Others

References: we are preparing a list of scientific research reports with E627-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E627-0053?
Check Price and Availability of E627-0053, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E627-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E627-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E627-0053
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E627-0053 available by request